3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide

C19H20N2O2 — CID 7546685

IUPAC3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1C
InChIInChI=1S/C19H20N2O2/c1-13-8-9-15(10-14(13)2)19(23)20-16-11-18(22)21(12-16)17-6-4-3-5-7-17/h3-10,16H,11-12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyUUQWGUHAWSNKDS-INIZCTEOSA-N
MW308.38 g/mol
LogP2.84
Rot. Bonds3

About 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide

3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide (PubChem CID 7546685) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
PubChem CID7546685
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1C
InChIInChI=1S/C19H20N2O2/c1-13-8-9-15(10-14(13)2)19(23)20-16-11-18(22)21(12-16)17-6-4-3-5-7-17/h3-10,16H,11-12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyUUQWGUHAWSNKDS-INIZCTEOSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 18573302
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 7547727
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 43970886
2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide
CID 72904842
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide (CID 7546685) is 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide is Cc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The InChIKey is UUQWGUHAWSNKDS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-8-9-15(10-14(13)2)19(23)20-16-11-18(22)21(12-16)17-6-4-3-5-7-17/h3-10,16H,11-12H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide?
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7546685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).